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Molecular dynamics-guided reaction discovery reveals endoperoxide-to-alkoxy radical isomerization as key branching point in α-pinene ozonolysis

Crossref DOI link: https://doi.org/10.1038/s41467-025-55985-w

Published Online: 2025-01-14

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Yang, Huan https://orcid.org/0000-0003-4229-3705
Raucci, Umberto https://orcid.org/0000-0002-8219-224X
Iyer, Siddharth https://orcid.org/0000-0001-5989-609X
Hasan, Galib

Golin Almeida, Thomas https://orcid.org/0000-0002-1794-1507
Barua, Shawon https://orcid.org/0000-0003-1683-2242
Savolainen, Anni https://orcid.org/0009-0005-4398-2168
Kangasluoma, Juha

Rissanen, Matti https://orcid.org/0000-0003-0463-8098
Vehkamäki, Hanna https://orcid.org/0000-0002-5018-1255
Kurtén, Theo https://orcid.org/0000-0002-6416-4931
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Text and Data Mining valid from 2025-01-14

Version of Record valid from 2025-01-14
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Article History

Received: 13 July 2024

Accepted: 2 January 2025

First Online: 14 January 2025

Competing interests

: The authors declare no competing interests.